6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione

C15H14ClN3O2 — CID 64772916

IUPAC6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione
SMILESCC(C)n1ccc(CN2C(=O)C(=O)c3ccc(Cl)cc32)n1
InChIInChI=1S/C15H14ClN3O2/c1-9(2)19-6-5-11(17-19)8-18-13-7-10(16)3-4-12(13)14(20)15(18)21/h3-7,9H,8H2,1-2H3
InChIKeyROMNDDOZNYMGNG-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.85
Rot. Bonds3

About 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione

6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione (PubChem CID 64772916) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione
PubChem CID64772916
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione
SMILESCC(C)n1ccc(CN2C(=O)C(=O)c3ccc(Cl)cc32)n1
InChIInChI=1S/C15H14ClN3O2/c1-9(2)19-6-5-11(17-19)8-18-13-7-10(16)3-4-12(13)14(20)15(18)21/h3-7,9H,8H2,1-2H3
InChIKeyROMNDDOZNYMGNG-UHFFFAOYSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 91969599
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61355101
6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61355262
5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione
CID 82866233
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
6-chloro-1-(5-oxohexyl)indole-2,3-dione
CID 62023661
1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione (CID 64772916) is 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione is CC(C)n1ccc(CN2C(=O)C(=O)c3ccc(Cl)cc32)n1.
What is the InChIKey of 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is ROMNDDOZNYMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(2)19-6-5-11(17-19)8-18-13-7-10(16)3-4-12(13)14(20)15(18)21/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione?
6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 303.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 64772916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).